Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9708737 | 0.94 | ADORA3 (0.40) | ADORA1ADORA3AGTR1AGTR2ADORA2A | |
| SCHEMBL9707604 | 0.91 | ADORA1 (0.37) | ADORA1ADORA3AGTR1AGTR2ADORA2A | |
| SCHEMBL9707722 | 0.91 | AGTR1 (0.39) | ADORA3AGTR1AGTR2 | |
| SCHEMBL9707559 | 0.91 | AGTR1 (0.41) | ADORA1ADORA3AGTR1AGTR2 | |
| SCHEMBL9707935 | 0.90 | AGTR1 (0.39) | AGTR1AGTR2 | |
| SCHEMBL9708509 | 0.89 | ADORA3 (0.40) | ADORA1ADORA3AGTR1AGTR2ADORA2A | |
| SCHEMBL9708624 | 0.89 | PDE1A (0.44) | PDE1APDE1BPDE1C | |
| SCHEMBL9708206 | 0.89 | AGTR1 (0.42) | AGTR1AGTR2 | |
| SCHEMBL9708369 | 0.89 | AGTR1 (0.39) | AGTR1AGTR2 | |
| SCHEMBL9708150 | 0.88 | AGTR1 (0.36) | ADORA1ADORA3AGTR1AGTR2ADORA2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992007852-A1 | BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | WO | disclosed |